[Q-e-developers] problem with pp
Giovanni Onida
Giovanni.Onida at mi.infn.it
Wed Jan 11 11:00:23 CET 2012
Dear Paolo, as far as i understand, we are facing case a).
I am not sure if we used gfortran of ifort for compilation, we
will check, and come with more details.
Thanks, and many wishes for a happy new year!
Giovanni
"GIOVANNI ONIDA - PHYSICS DEPT. and INFM - UNIVERSITY OF MILANO
- VIA CELORIA 16 - I-20133 MILANO (ITALY)
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* and European Theoretical Spectroscopy Facility (ETSF) http://www.etsf.eu
============================================================================
On Wed, 11 Jan 2012, Paolo Giannozzi wrote:
> Please choose one of the following:
>
> a) the data file ge100-p2x1-out.save, generated by v.4.3.2 of pw.x,
> cannot be read by v.4.3.2 of pp.x, while the same procedure was
> working in v.4.0
> b) the data file ge100-p2x1-out.save. generated by v.4.0 of pw.x,
> cannot be read by v.4.3.2 of pp.x,
> c) none of the above (please specificy)
>
> I can anticipate that if a) applies, with 99.99% probability
> it is a (well-known) problem of miscompilation (by gfortran) of
> iotk; if b) applies, we need the pw.x data to see why it happens
>
> P.
> --
> Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
>
>
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